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3L0R
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BU of 3l0r by Molmil
Crystal Structure of Salivary Cystatin from the Soft Tick Ornithodoros moubata
Descriptor: CHLORIDE ION, Cystatin-2, GLYCEROL
Authors:Rezacova, P, Brynda, J, Andersen, J.F, Salat, J, Kovarova, Z, Mares, M.
Deposit date:2009-12-10
Release date:2010-06-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal structure and functional characterization of an immunomodulatory salivary cystatin from the soft tick Ornithodoros moubata
Biochem.J., 429, 2010
4DMU
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BU of 4dmu by Molmil
Crystal structure of the von Willebrand factor A3 domain in complex with a collagen III derived triple-helical peptide
Descriptor: Collagen III derived triple-helical peptide, SULFATE ION, von Willebrand factor
Authors:Brondijk, T.H.C, Huizinga, E.G.
Deposit date:2012-02-08
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Implications for collagen I chain registry from the structure of the collagen von Willebrand factor A3 domain complex.
Proc.Natl.Acad.Sci.USA, 109, 2012
4DUC
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BU of 4duc by Molmil
cytochrome P450 BM3h-2G9 MRI sensor, no ligand
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, cytochrome P450 BM3 variant 2G9
Authors:Brustad, E.M, Lelyveld, V.S, Snow, C.D, Crook, N, Martinez, F.M, Scholl, T.J, Jasanoff, A, Arnold, F.H.
Deposit date:2012-02-21
Release date:2012-06-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structure-guided directed evolution of highly selective p450-based magnetic resonance imaging sensors for dopamine and serotonin.
J.Mol.Biol., 422, 2012
3KM4
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BU of 3km4 by Molmil
Optimization of Orally Bioavailable Alkyl Amine Renin Inhibitors
Descriptor: (3R)-3-[(1S)-4-(acetylamino)-1-(3-chlorophenyl)-1-hydroxybutyl]-N-{(1S)-2-cyclohexyl-1-[(methylamino)methyl]ethyl}piperidine-1-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wu, Z, McKeever, B.M.
Deposit date:2009-11-09
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Optimization of orally bioavailable alkyl amine renin inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
4DQG
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BU of 4dqg by Molmil
Crystal Structure of apo(G16C/L38C) HIV-1 Protease
Descriptor: ACETATE ION, Aspartyl protease, GLYCEROL, ...
Authors:Schiffer, C.A, Mittal, S.
Deposit date:2012-02-15
Release date:2012-03-07
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Hydrophobic core flexibility modulates enzyme activity in HIV-1 protease.
J.Am.Chem.Soc., 134, 2012
5LHP
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BU of 5lhp by Molmil
The p-aminobenzamidine active site inhibited catalytic domain of murine urokinase-type plasminogen activator in complex with the allosteric inhibitory nanobody Nb7
Descriptor: 1,2-ETHANEDIOL, Camelid-Derived Antibody Fragment, P-AMINO BENZAMIDINE, ...
Authors:Kromann-Hansen, T, Lange, E.L, Sorensen, H.P, Ghassabeh, G.H, Huang, M, Jensen, J.K, Muyldermans, S, Declerck, P.J, Andreasen, P.A.
Deposit date:2016-07-12
Release date:2017-06-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Discovery of a novel conformational equilibrium in urokinase-type plasminogen activator.
Sci Rep, 7, 2017
4DW2
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BU of 4dw2 by Molmil
The crystal structure of uPA in complex with the Fab fragment of mAb-112
Descriptor: Fab fragment of pro-uPA antibody mAb-112, SULFATE ION, Urokinase-type plasminogen activator
Authors:Jiang, L, Botkjaer, K.A, Andersen, L.M, Yuan, C, Andreasen, P.A, Huang, M.
Deposit date:2012-02-24
Release date:2013-01-16
Method:X-RAY DIFFRACTION (2.97 Å)
Cite:Rezymogenation of active urokinase induced by an inhibitory antibody.
Biochem.J., 449, 2013
3KM1
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BU of 3km1 by Molmil
ZINC-Reconstituted TOMATO CHLOROPLAST SUPEROXIDE DISMUTASE
Descriptor: GLYCEROL, Superoxide dismutase [Cu-Zn], chloroplastic, ...
Authors:Galaleldeen, A, Taylor, A.B, Thomas, S.T, Hart, P.J.
Deposit date:2009-11-09
Release date:2010-12-01
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Biophysical properties of tomato chloroplast sod
To be Published
3KQG
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BU of 3kqg by Molmil
Trimeric Structure of Langerin
Descriptor: C-type lectin domain family 4 member K, CALCIUM ION
Authors:Feinberg, H, Powlesland, A.S, Taylor, M.E, Weis, W.I.
Deposit date:2009-11-17
Release date:2010-02-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Trimeric structure of langerin.
J.Biol.Chem., 285, 2010
3KMB
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BU of 3kmb by Molmil
COMPLEX OF 3'-SULFO-LEWIS-X WITH A SELECTIN-LIKE MUTANT OF MANNOSE-BINDING PROTEIN A
Descriptor: CALCIUM ION, CHLORIDE ION, MANNOSE-BINDING PROTEIN-A, ...
Authors:Ng, K.K.-S, Weis, W.I.
Deposit date:1996-11-07
Release date:1997-02-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure of a selectin-like mutant of mannose-binding protein complexed with sialylated and sulfated Lewis(x) oligosaccharides.
Biochemistry, 36, 1997
3KR3
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BU of 3kr3 by Molmil
Crystal structure of IGF-II antibody complex
Descriptor: 1,2-ETHANEDIOL, Insulin-like growth factor II, antibody-Fab (heavy chain), ...
Authors:Peat, T.S, Newman, J, Adams, T.E.
Deposit date:2009-11-17
Release date:2010-06-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A human monoclonal antibody against insulin-like growth factor-II blocks the growth of human hepatocellular carcinoma cell lines in vitro and in vivo.
Mol.Cancer Ther., 9, 2010
4DYM
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BU of 4dym by Molmil
Crystal structure of the ACVR1 kinase domain in complex with the imidazo[1,2-b]pyridazine inhibitor K00135
Descriptor: 1-(3-{6-[(CYCLOPROPYLMETHYL)AMINO]IMIDAZO[1,2-B]PYRIDAZIN-3-YL}PHENYL)ETHANONE, Activin receptor type-1, GLYCEROL, ...
Authors:Chaikuad, A, Sanvitale, C, Cooper, C, Canning, P, Mahajan, P, Daga, N, Petrie, K, Alfano, I, Gileadi, O, Fedorov, O, Krojer, T, Filippakopoulos, P, Muniz, J.R.C, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
Deposit date:2012-02-29
Release date:2012-03-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Crystal structure of the ACVR1 kinase domain in complex with the imidazo[1,2-b]pyridazine inhibitor K00135
To be Published
4DTK
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BU of 4dtk by Molmil
Novel and selective pan-PIM kinase inhibitor
Descriptor: (5Z)-5-{2-[(3R)-3-aminopiperidin-1-yl]-3-(propan-2-yloxy)benzylidene}-1,3-thiazolidine-2,4-dione, 1,2-ETHANEDIOL, SULFATE ION, ...
Authors:Ferguson, A.D.
Deposit date:2012-02-21
Release date:2012-07-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Discovery of novel benzylidene-1,3-thiazolidine-2,4-diones as potent and selective inhibitors of the PIM-1, PIM-2, and PIM-3 protein kinases.
Bioorg.Med.Chem.Lett., 22, 2012
5LPV
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BU of 5lpv by Molmil
Crystal structure of the BRI1 kinase domain (865-1160) in complex with AMPPNP and Mn from Arabidopsis thaliana
Descriptor: MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Protein BRASSINOSTEROID INSENSITIVE 1
Authors:Bojar, D, Martinez, J, Hothorn, M.
Deposit date:2016-08-15
Release date:2016-08-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structures of the phosphorylated BRI1 kinase domain and implications for brassinosteroid signal initiation.
TO BE PUBLISHED
3KQ7
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BU of 3kq7 by Molmil
Structure of human p38alpha with N-[4-methyl-3-(6-{[2-(1-methylpyrrolidin-2-yl)ethyl]amino}pyridine-3-amido)phenyl]-2-(morpholin-4-yl)pyridine-4-carboxamide
Descriptor: ACETATE ION, Mitogen-activated protein kinase p38 alpha, N-(2-methyl-5-{[(2-morpholin-4-ylpyridin-4-yl)carbonyl]amino}phenyl)-6-({2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}amino)py ridine-3-carboxamide
Authors:Cheng, R.K.Y, Barker, J, Whittaker, M.
Deposit date:2009-11-17
Release date:2009-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of human p38alpha with N-[4-methyl-3-(6-{[2-(1-methylpyrrolidin-2-yl)ethyl]amino}pyridine-3-amido)phenyl]-2-(morpholin-4-yl)pyridine-4-carboxamide
TO BE PUBLISHED
4DUD
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BU of 4dud by Molmil
cytochrome P450 BM3h-2G9C6 MRI sensor, no ligand
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, cytochrome P450 BM3 variant 2G9C6
Authors:Brustad, E.M, Lelyveld, V.S, Snow, C.D, Crook, N, Martinez, F.M, Scholl, T.J, Jasanoff, A, Arnold, F.H.
Deposit date:2012-02-21
Release date:2012-06-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-guided directed evolution of highly selective p450-based magnetic resonance imaging sensors for dopamine and serotonin.
J.Mol.Biol., 422, 2012
4DX1
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BU of 4dx1 by Molmil
Crystal structure of the human TRPV4 ankyrin repeat domain
Descriptor: GLYCEROL, PHOSPHATE ION, Transient receptor potential cation channel subfamily V member 4
Authors:Inada, H, Gaudet, R.
Deposit date:2012-02-27
Release date:2012-07-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural and biochemical consequences of disease-causing mutations in the ankyrin repeat domain of the human TRPV4 channel.
Biochemistry, 51, 2012
3KSW
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BU of 3ksw by Molmil
Crystal structure of sterol 14alpha-demethylase (CYP51) from Trypanosoma cruzi in complex with an inhibitor VNF ((4-(4-chlorophenyl)-N-[2-(1H-imidazol-1-yl)-1-phenylethyl]benzamide)
Descriptor: 4'-chloro-N-[(1R)-2-(1H-imidazol-1-yl)-1-phenylethyl]biphenyl-4-carboxamide, PROTOPORPHYRIN IX CONTAINING FE, Sterol 14-alpha demethylase
Authors:Lepesheva, G.I, Hargrove, T.Y, Anderson, S, Wawrzak, Z, Waterman, M.R.
Deposit date:2009-11-23
Release date:2009-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Structural Insights into Inhibition of Sterol 14{alpha}-Demethylase in the Human Pathogen Trypanosoma cruzi.
J.Biol.Chem., 285, 2010
3KUO
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BU of 3kuo by Molmil
X-ray structure of the metcyano form of dehaloperoxidase from amphitrite ornata: evidence for photoreductive lysis of iron-cyanide bond
Descriptor: CYANIDE ION, Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Serrano, V.S, Chen, Z, Gaff, J.F, Rose, R, Franzen, S.
Deposit date:2009-11-27
Release date:2010-06-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:X-ray structure of the metcyano form of dehaloperoxidase from Amphitrite ornata: evidence for photoreductive dissociation of the iron-cyanide bond.
Acta Crystallogr.,Sect.D, 66, 2010
4DFG
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BU of 4dfg by Molmil
Crystal Structure of Wild-type HIV-1 Protease with Cyclopentyltetrahydro- furanyl Urethanes as P2-ligand, GRL-0249A
Descriptor: CHLORIDE ION, Protease, SODIUM ION, ...
Authors:Wang, Y.-F, Agniswamy, J, Weber, I.T.
Deposit date:2012-01-23
Release date:2012-03-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Substituent effects on P2-cyclopentyltetrahydrofuranyl urethanes: Design, synthesis, and X-ray studies of potent HIV-1 protease inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
5LNM
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BU of 5lnm by Molmil
Crystal structure of D1050E mutant of the receiver domain of the histidine kinase CKI1 from Arabidopsis thaliana
Descriptor: Histidine kinase CKI1
Authors:Otrusinova, O, Demo, G, Kaderavek, P, Jansen, S, Jasenakova, Z, Pekarova, B, Janda, L, Wimmerova, M, Hejatko, J, Zidek, L.
Deposit date:2016-08-05
Release date:2017-09-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Conformational dynamics are a key factor in signaling mediated by the receiver domain of a sensor histidine kinase from Arabidopsis thaliana.
J. Biol. Chem., 292, 2017
5LLZ
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BU of 5llz by Molmil
Dehaloperoxidase B from Amphitrite ornata: benzotriazole complex
Descriptor: 1H-benzotriazole, Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Chicano, T.M, Dworkowski, F.S.N, Hough, M.A.
Deposit date:2016-07-28
Release date:2017-08-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Dehaloperoxidase B from Amphitrite ornata: benzotriazole complex
to be published
3KZA
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BU of 3kza by Molmil
Crystal structure of Gyuba, a patched chimera of b-lactglobulin
Descriptor: Beta-lactoglobulin
Authors:Tsuge, H, Ohtomo, H, Utsunomiya, H, Konuma, T, Ikeguchi, M.
Deposit date:2009-12-08
Release date:2010-12-22
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and stability of Gyuba, a patched chimera of b-lactoglobulin
Protein Sci., 20, 2011
3KZJ
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BU of 3kzj by Molmil
Structure of complement Factor H variant R1203A
Descriptor: Complement factor H, SULFATE ION
Authors:Bhattacharjee, A, Lehtinen, M.J, Kajander, T, Goldman, A, Jokiranta, T.S.
Deposit date:2009-12-08
Release date:2010-05-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Both domain 19 and domain 20 of factor H are involved in binding to complement C3b and C3d
Mol.Immunol., 47, 2010
4DFX
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BU of 4dfx by Molmil
Crystal structure of myristoylated K7C catalytic subunit of cAMP-dependent protein kinase in complex with SP20 and AMP-PNP
Descriptor: GLYCEROL, MAGNESIUM ION, MYRISTIC ACID, ...
Authors:Bastidas, A.C, Steichen, J.M, Taylor, S.S.
Deposit date:2012-01-24
Release date:2012-06-06
Last modified:2013-01-02
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Role of N-terminal myristylation in the structure and regulation of cAMP-dependent protein kinase.
J.Mol.Biol., 422, 2012

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